4-bromo-2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzenesulfonamide

C16H17BrClNO4S — CID 30329505

IUPAC4-bromo-2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzenesulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)c2ccc(Br)cc2Cl)c(OC)c1
InChIInChI=1S/C16H17BrClNO4S/c1-19(10-11-4-6-13(22-2)9-15(11)23-3)24(20,21)16-7-5-12(17)8-14(16)18/h4-9H,10H2,1-3H3
InChIKeyRWCSSEOWODILQV-UHFFFAOYSA-N
MW434.74 g/mol
LogP3.94
Rot. Bonds6

About 4-bromo-2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzenesulfonamide

4-bromo-2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzenesulfonamide (PubChem CID 30329505) has the molecular formula C16H17BrClNO4S and a molecular weight of 434.74 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzenesulfonamide
PubChem CID30329505
Molecular FormulaC16H17BrClNO4S
Molecular Weight434.74 g/mol
Exact Mass432.98
IUPAC Name4-bromo-2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzenesulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)c2ccc(Br)cc2Cl)c(OC)c1
InChIInChI=1S/C16H17BrClNO4S/c1-19(10-11-4-6-13(22-2)9-15(11)23-3)24(20,21)16-7-5-12(17)8-14(16)18/h4-9H,10H2,1-3H3
InChIKeyRWCSSEOWODILQV-UHFFFAOYSA-N
XLogP3.94
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.74
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-2,5-dimethoxy-N-methylbenzenesulfonamide
CID 32941824
2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-5-nitrobenzenesulfonamide
CID 175573139
4-bromo-2-chloro-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 7514398
4-bromo-2-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61060615
methyl 2-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]acetate
CID 39965306
N-[(4-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 115595290
4-bromo-2,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 30328481
N-[(2,4-dimethoxyphenyl)methyl]-4-ethoxy-N-methylbenzenesulfonamide
CID 7937784
N-[(2,4-dimethoxyphenyl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 4885068
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N,4-dimethyl-5-nitrobenzenesulfonamide
CID 8797806
4-bromo-N-(3-bromopropyl)-2-chloro-N-methylbenzenesulfonamide
CID 106441744
4-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methylbenzenesulfonamide
CID 115611951

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzenesulfonamide (CID 30329505) is 4-bromo-2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzenesulfonamide is COc1ccc(CN(C)S(=O)(=O)c2ccc(Br)cc2Cl)c(OC)c1.
What is the InChIKey of 4-bromo-2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is RWCSSEOWODILQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO4S/c1-19(10-11-4-6-13(22-2)9-15(11)23-3)24(20,21)16-7-5-12(17)8-14(16)18/h4-9H,10H2,1-3H3.
What are the key properties of 4-bromo-2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzenesulfonamide?
4-bromo-2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 434.74 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 30329505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).